7-(butylsulfanyl)-2-methyl-5-nitroquinazolin-4(3H)-one
Chemical Structure Depiction of
7-(butylsulfanyl)-2-methyl-5-nitroquinazolin-4(3H)-one
7-(butylsulfanyl)-2-methyl-5-nitroquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8018-5357 |
| Compound Name: | 7-(butylsulfanyl)-2-methyl-5-nitroquinazolin-4(3H)-one |
| Molecular Weight: | 293.34 |
| Molecular Formula: | C13 H15 N3 O3 S |
| Smiles: | CCCCSc1cc2c(C(NC(C)=N2)=O)c(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3221 |
| logD: | 3.0781 |
| logSw: | -3.9595 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.915 |
| InChI Key: | NAIOOHFTJMRBOK-UHFFFAOYSA-N |